ethyl 4-[(1S)-2-(aminocarbonylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1S)-2-(aminocarbonylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-2-oxo-1-phenyl-2-ureido-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-2-keto-1-phenyl-2-ureido-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC(=O)N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N4O4/c1-2-24-16(23)20-10-8-19(9-11-20)13(14(21)18-15(17)22)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H3,17,18,21,22)/p+1/t13-/m0/s1